element(s):
['Cr', 'O']
AFLOW prototype label:
AB2_cF12_225_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7625']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'O']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[4.7625, 0, 0], [0, 4.7625, 0], [0, 0, 4.7625]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:45:05     -134.446229         8.215328
BFGS:    1 12:45:05     -135.640333         7.696375
BFGS:    2 12:45:06     -136.752118         7.116945
BFGS:    3 12:45:06     -137.772298         6.492408
BFGS:    4 12:45:07     -138.693458         5.777478
BFGS:    5 12:45:08     -139.502674         5.004689
BFGS:    6 12:45:08     -140.188949         4.131351
BFGS:    7 12:45:09     -140.737621         3.168829
BFGS:    8 12:45:10     -141.134782         2.109968
BFGS:    9 12:45:11     -141.365410         0.947056
BFGS:   10 12:45:11     -141.418991         0.082615
BFGS:   11 12:45:12     -141.419382         0.002861
BFGS:   12 12:45:13     -141.419382         0.000008
BFGS:   13 12:45:13     -141.419382         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.372499294022439e-30 eV/Angstrom
Maximum stress component: 9.934671774834841e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]]
cellpar =  Cell([[4.5689989261250465, -2.0218953890773123e-33, 1.0434729623141125e-32], [1.7717843513534275e-32, 4.5689989261250465, 1.12897345913457e-17], [-6.689517492258595e-33, 1.1289734591345723e-17, 4.5689989261250465]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.85699502e-30  6.60789182e-30 -1.52056602e-30]
 [ 2.25269039e-31 -2.77831815e-30  3.94220819e-30]
 [-5.38651125e-30  8.03459574e-30 -8.25986477e-30]
 [ 2.06968926e-63 -2.04619377e-30 -6.83316086e-30]
 [ 2.47795943e-30 -4.50538079e-31  6.08226406e-30]
 [ 4.75880846e-30 -5.91331228e-30 -3.22885623e-30]
 [ 3.00358719e-30 -8.37249929e-30  3.48228390e-30]
 [ 3.14438034e-30  8.25986477e-31 -2.79239747e-30]]
stress =  [-9.93467177e-11 -9.93467177e-11 -9.93467177e-11 -1.19342201e-26
  6.27346221e-33  6.21598898e-49]
energy per atom =  -11.784948500777988
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0